CAS
898790-51-7 Purity
96%
898790-51-7 Purity
96%
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3-Carboethoxyphenyl cyclobutyl ketone
CAS
898790-54-0
Catalog Number
ACM898790540
Category
Other Products
Molecular Weight
232.28
Molecular Formula
C14H16O3
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Specification
Synonyms
3-CARBOETHOXYPHENYL CYCLOBUTYL KETONE
IUPAC Name
ethyl 3-(cyclobutanecarbonyl)benzoate
Canonical SMILES
CCOC(=O)C1=CC=CC(=C1)C(=O)C2CCC2
InChI Key
OVOBSXIMWGDCNH-UHFFFAOYSA-N
Boiling Point
364.6ºC at 760 mmHg
Flash Point
161.2ºC
Density
1.147g/cm³
Exact Mass
232.11000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-Carboethoxyphenyl cyclobutyl ketone?
The molecular formula of 3-Carboethoxyphenyl cyclobutyl ketone is C14H16O3.
When was 3-Carboethoxyphenyl cyclobutyl ketone first created on PubChem?
3-Carboethoxyphenyl cyclobutyl ketone was first created on PubChem on February 29, 2008.
What is the computed IUPAC name of 3-Carboethoxyphenyl cyclobutyl ketone?
The computed IUPAC name of 3-Carboethoxyphenyl cyclobutyl ketone is ethyl 3-(cyclobutanecarbonyl)benzoate.
What is the InChIKey of 3-Carboethoxyphenyl cyclobutyl ketone?
The InChIKey of 3-Carboethoxyphenyl cyclobutyl ketone is OVOBSXIMWGDCNH-UHFFFAOYSA-N.
What is the molecular weight of 3-Carboethoxyphenyl cyclobutyl ketone?
The molecular weight of 3-Carboethoxyphenyl cyclobutyl ketone is 232.27 g/mol.
How many hydrogen bond donor counts does 3-Carboethoxyphenyl cyclobutyl ketone have?
3-Carboethoxyphenyl cyclobutyl ketone has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-Carboethoxyphenyl cyclobutyl ketone?
The topological polar surface area of 3-Carboethoxyphenyl cyclobutyl ketone is 43.4 Ų.
How many rotatable bond counts does 3-Carboethoxyphenyl cyclobutyl ketone have?
3-Carboethoxyphenyl cyclobutyl ketone has 5 rotatable bond counts.
Is 3-Carboethoxyphenyl cyclobutyl ketone considered as a canonicalized compound?
Yes, 3-Carboethoxyphenyl cyclobutyl ketone is considered as a canonicalized compound.
What is the complexity value of 3-Carboethoxyphenyl cyclobutyl ketone?
The complexity value of 3-Carboethoxyphenyl cyclobutyl ketone is 294.
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